Gilles H. Peslherbe

Computational Chemistry
and Multiscale Chemical Modeling

Professor of Chemistry & Biochemistry  /  Physics  /  Chemical & Materials Engineering
Centre for Research in Molecular Modeling (CERMM)

Prospective students

Available positions

Looking for 4 highly motivated PhD and PDF candidates with experience, background and/or interests in computational chemistry, quantum computing, artificial intelligence, therapeutics design and/or materials engineering. Highly competitive stipends and benefits commensurate with level, experience and performance.

Undergraduate research opportunities for Chemistry & Biochemistry, Biology, Physics and Chemical & Materials Engineering students (Winter & Summer 2024):
For more information about the projects click on the links below.


Gilles H. Peslherbe is a Professor in the Departments of Chemistry & Biochemistry, Physics and Chemical & Materials Engineering at Concordia University.  He obtained a Diplôme d’Ingénieur Chimiste from the Ecole Supérieure de Chimie Industrielle in Lyon, France in 1991, and a PhD in Physical Chemistry and Computer Engineering with Bill Hase  from Wayne State University, USA in 1995. He then pursued a joint postdoctoral fellow with Branka Ladanyi at University of Colorado at Boulder, USA, and Casey Hynes at Colorado State University, USA, before joining Concordia as an Assistant Professor  in 1998 and rising to the rank of Professor in 2008. He is the past Founding Director of the Centre for Research in Molecular Modeling (CERMM) and was elected Fellow of the Chemical Institute of Canada in 2021.

Recent Publications

Accurate Mechanical and Electronic Properties of Spinel Nitrides from Density Functional Theory

J Phys Chem C (2021) 125, 17

Highly efficient and reversible iodine capture utilizing amorphous conjugated covalent triazine-based porous polymers: Experimental and computational studies

J Environ Chem Eng (2022) 10, 3